3-[3-[(1S)-1-(methylamino)-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C24H22N8 — CID 177272462

About 3-[3-[(1S)-1-(methylamino)-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-[(1S)-1-(methylamino)-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 177272462) has the molecular formula C24H22N8 and a molecular weight of 422.50 g/mol. Its IUPAC name is 3-[3-[(1S)-1-(methylamino)-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[3-[(1S)-1-(methylamino)-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 177272462
• Molecular Formula: C24H22N8
• Molecular Weight: 422.50 g/mol
• Exact Mass: 422.20
• IUPAC Name: 3-[3-[(1S)-1-(methylamino)-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• SMILES: CN[C@H]1CCc2cc(-n3c(-c4cccnc4N)nc4ccc(-n5cccn5)nc43)ccc21
• InChI: InChI=1S/C24H22N8/c1-26-19-8-5-15-14-16(6-7-17(15)19)32-23(18-4-2-11-27-22(18)25)29-20-9-10-21(30-24(20)32)31-13-3-12-28-31/h2-4,6-7,9-14,19,26H,5,8H2,1H3,(H2,25,27)/t19-/m0/s1
• InChIKey: MYHVXCHCSGPHDO-IBGZPJMESA-N
• XLogP: 3.46
• TPSA: 99.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.50
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1S)-1-(methylamino)-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The IUPAC name of 3-[3-[(1S)-1-(methylamino)-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 177272462) is 3-[3-[(1S)-1-(methylamino)-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

What is the SMILES notation for 3-[3-[(1S)-1-(methylamino)-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The canonical SMILES for 3-[3-[(1S)-1-(methylamino)-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is CN[C@H]1CCc2cc(-n3c(-c4cccnc4N)nc4ccc(-n5cccn5)nc43)ccc21.

What is the InChIKey of 3-[3-[(1S)-1-(methylamino)-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The InChIKey is MYHVXCHCSGPHDO-IBGZPJMESA-N. The full InChI is InChI=1S/C24H22N8/c1-26-19-8-5-15-14-16(6-7-17(15)19)32-23(18-4-2-11-27-22(18)25)29-20-9-10-21(30-24(20)32)31-13-3-12-28-31/h2-4,6-7,9-14,19,26H,5,8H2,1H3,(H2,25,27)/t19-/m0/s1.

What are the key properties of 3-[3-[(1S)-1-(methylamino)-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

3-[3-[(1S)-1-(methylamino)-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 422.50 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[(1S)-1-(methylamino)-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 177272462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).